ChemicalBook > CAS DataBase List > (4R)-4-[(3S,5S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

(4R)-4-[(3S,5S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Product Name
(4R)-4-[(3S,5S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
CAS No.
78919-26-3
Chemical Name
(4R)-4-[(3S,5S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Synonyms
IsoUDCA; Ursodiol Impurity H;isoursodeoxycholicaci;3β-Ursodeoxycholic Acid;Isoursodeoxycholic acid;3β-Ursodeoxycholic acid;3-epi-Ursodeoxycholic acid;3-Beta-Ursodeoxycholic Acid;Ursodiol Related Compound H;Ursodeoxycholic Acid impurity
CBNumber
CB01236039
Molecular Formula
C24H40O4
Formula Weight
392.57
MOL File
78919-26-3.mol
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(4R)-4-[(3S,5S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Property

Melting point:
184 - 186°C
Boiling point:
547.1±25.0 °C(Predicted)
Density 
1.128±0.06 g/cm3(Predicted)
storage temp. 
Refrigerator
solubility 
DMSO (Slightly), Methanol (Slightly, Sonicated), Water (Slightly, Heated)
pka
4.76±0.10(Predicted)
form 
Solid
color 
White to Off-White
InChIKey
RUDATBOHQWOJDD-FJNRGYSSNA-N
SMILES
C(O)(=O)CC[C@H]([C@@H]1[C@@]2(C)CC[C@]3([H])[C@]4(C)CC[C@H](O)C[C@@]4([H])C[C@H](O)[C@]3([H])[C@]2([H])CC1)C |&1:5,6,7,11,13,17,20,23,25,27,r|
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P321Specific treatment (see … on this label).

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

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N-Bromosuccinimide Price

TRC
Product number
U850005
Product name
3β-UrsodeoxycholicAcid
Packaging
50mg
Price
$580
Updated
2021/12/16
TRC
Product number
U850005
Product name
3β-UrsodeoxycholicAcid
Packaging
250mg
Price
$1925
Updated
2021/12/16
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(4R)-4-[(3S,5S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Chemical Properties,Usage,Production

Chemical Properties

White Solid

Uses

3β-Ursodeoxycholic Acid (Ursodeoxycholic Acid EP Impurity H) is used as an anticholelithogenic.

Uses

Isoursodeoxycholic acid is used as an anticholelithogenic.

Definition

ChEBI: A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by beta-hydroxy groups at positions 3 and 7.

(4R)-4-[(3S,5S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Preparation Products And Raw materials

Raw materials

Preparation Products

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(4R)-4-[(3S,5S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Suppliers

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78919-26-3, (4R)-4-[(3S,5S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acidRelated Search:

URSODEOXYCHOLIC-2,2,4,4-D4 ACID TAUROLITHOCHOLIC ACID SODIUM SALT (4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Rosin Tauroursodeoxycholic acid Ursodeoxycholic acid (4R)-4-[(3S,5R,8S,9S,10S,12S,13R,14S)-1,3,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid RUDATBOHQWOJDD-ZAYXGXDFSA-N Cholic Acid Impurity (5-beta-Cholane-3-alpha-7-beta-24-Triol) 4-[(5S,7S,8S,10S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Deoxyursocholic acid methyl ester 3alpha-Hydroxy-7-oxo-5beta-cholanic Acid Cholic acid Deoxycholic acid 7a-Hydroxy-3-oxo-5b-cholanoic acid Ursodeoxycholic acid EP Impurity M (4R)-4-[(3S,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid 7-Oxyisotithocholic Acid

  • (4R)-4-[(3S,5S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
  • Isoursodeoxycholic acid
  • 3-epi-Ursodeoxycholic acid
  • IsoUDCA
  • 3β-Ursodeoxycholic Acid
  • Ursodeoxycholic Acid EP Impurity H
  • Ursodeoxycholic Acid Impurity 8（Ursodeoxycholic Acid EP Impurity H）
  • Ursodiol Impurity H
  • Ursodeoxycholic Acid EP Impurity H/3β-Ursodeoxycholic Acid/Isoursodeoxycholic Acid/(3β,5β,7β)-3,7-Dihydroxycholan-24-oic Acid
  • Ursodeoxycholic Acid EP Impurity H(Isoursodeoxycholic Acid)
  • Cholan-24-oic acid,3,7-dihydroxy-, (3b,5b,7b)-
  • 3-Beta-Ursodeoxycholic Acid
  • Ursodeoxycholic Acid EP Impurity H,3β,7β-dihydroxy-5β-cholan-24-oic acid
  • 3βUrsodeoxycholic acid,3β Ursodeoxycholic acid
  • Urosodeoxycholic Acid EP Impurity H
  • isoursodeoxycholicaci
  • Ursodeoxycholic Acid Impurity H
  • (R)-4-((3S,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
  • 3β-Ursodeoxycholic acid, 10 mM in DMSO
  • Ursodiol Related Compound H
  • Ursodeoxycholic Acid impurity
  • Ursodeoxycholic acid Imp. H (EP): 3?,7?-dihydroxy-5?-cholan-24-oic acid (Isoursodeoxycholic Acid)
  • 3β-Ursodeoxycholic acid
  • 78919-26-3
  • Intermediates & Fine Chemicals
  • Pharmaceuticals
  • Steroids